UCSF

ZINC36877749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 6.48 -58.18 4 4 1 80 255.345 4
Hi High (pH 8-9.5) 0.57 6.14 -8.41 3 4 0 78 254.337 4
Lo Low (pH 4.5-6) 0.57 6.24 -131.66 5 4 2 81 256.353 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )